N-(3-aminopropyl)-N-benzyl-6-oxo-1H-pyridine-3-carboxamide

C16H19N3O2 — CID 107365742

IUPACN-(3-aminopropyl)-N-benzyl-6-oxo-1H-pyridine-3-carboxamide
SMILESNCCCN(Cc1ccccc1)C(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C16H19N3O2/c17-9-4-10-19(12-13-5-2-1-3-6-13)16(21)14-7-8-15(20)18-11-14/h1-3,5-8,11H,4,9-10,12,17H2,(H,18,20)
InChIKeyQCPRQXRRLZSZMK-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.37
Rot. Bonds6

About N-(3-aminopropyl)-N-benzyl-6-oxo-1H-pyridine-3-carboxamide

N-(3-aminopropyl)-N-benzyl-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 107365742) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-benzyl-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-benzyl-6-oxo-1H-pyridine-3-carboxamide
PubChem CID107365742
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-(3-aminopropyl)-N-benzyl-6-oxo-1H-pyridine-3-carboxamide
SMILESNCCCN(Cc1ccccc1)C(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C16H19N3O2/c17-9-4-10-19(12-13-5-2-1-3-6-13)16(21)14-7-8-15(20)18-11-14/h1-3,5-8,11H,4,9-10,12,17H2,(H,18,20)
InChIKeyQCPRQXRRLZSZMK-UHFFFAOYSA-N
XLogP1.37
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-N-benzyl-4-methylbenzamide
CID 107365954
N-(3-aminopropyl)-N-benzyl-4-(methoxymethyl)benzamide
CID 120649040
N-(3-aminopropyl)-N-benzyl-3-bromobenzamide
CID 107365609
N-(3-aminopropyl)-N-benzyl-3-iodobenzamide
CID 107365856
N-(3-aminopropyl)-N-benzyl-6-methylpyridine-3-carboxamide;dihydrochloride
CID 120649613
N-(3-aminopropyl)-N-benzyl-2,3-dihydro-1H-indene-5-carboxamide
CID 120648770
N-(3-aminopropyl)-N-benzyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide;hydrochloride
CID 120648747
[4-[[3-aminopropyl(benzoyl)amino]methyl]phenyl]methylphosphonic acid
CID 23877767
N-(3-aminopropyl)-N-benzyl-3,5-dimethoxybenzamide;hydrochloride
CID 120649276
1-(3-aminopropyl)-1-benzyl-3,3-dimethylurea
CID 107366332
3-N-(3-aminopropyl)-3-N-benzyl-1-N-methylbenzene-1,3-dicarboxamide
CID 120648912
N-(3-aminopropyl)-N-benzyl-5-fluoropyridine-3-carboxamide
CID 107365924

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-benzyl-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(3-aminopropyl)-N-benzyl-6-oxo-1H-pyridine-3-carboxamide (CID 107365742) is N-(3-aminopropyl)-N-benzyl-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-N-benzyl-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-N-benzyl-6-oxo-1H-pyridine-3-carboxamide is NCCCN(Cc1ccccc1)C(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of N-(3-aminopropyl)-N-benzyl-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is QCPRQXRRLZSZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c17-9-4-10-19(12-13-5-2-1-3-6-13)16(21)14-7-8-15(20)18-11-14/h1-3,5-8,11H,4,9-10,12,17H2,(H,18,20).
What are the key properties of N-(3-aminopropyl)-N-benzyl-6-oxo-1H-pyridine-3-carboxamide?
N-(3-aminopropyl)-N-benzyl-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-benzyl-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 107365742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).